6-Hydroxycyanidin
Basic information
- CAS
42529-06-6- Standard SMILES
Oc1ccc(-c2[o+]c3cc(O)c(O)c(O)c3cc2O)cc1O- InChIKey
PWDAKBACEAGRSH-UHFFFAOYSA-O- Molecular formula
- C15H11O7+
- Average molar mass
- 303.24 g/mol
- Monoisotopic mass
- 303.05047769
Overview
6-hydroxycyanidin is an anthocyanidin cation that is cyanidin substituted by a hydroxy group at position 6. It is functionally related to a cyanidin cation.
Names & identifiers
- Preferred name
- 6-Hydroxycyanidin
- IUPAC
- 2-(3,4-dihydroxyphenyl)chromenylium-3,5,6,7-tetrol
- English name
- QUERCETAGETINIDIN CHLORIDE WITH HPLC
- Molecular formula
- C15H11O7.Cl
- Molecular weight
- 338.698
Names & synonyms
6-HydroxycyanidinQUERCETAGETINIDIN8JXK5TBK6742529-06-62-(3,4-dihydroxyphenyl)chromenylium-3,5,6,7-tetrol784079-49-8CHEBI:280901-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-2-(3,4-Dihydroxyphenyl)-3,5,6,7-tetrahydroxy-1-benzopyryliumDTXSID303316122-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxychromeniumRefChem:104769
Show more names
Quercetagetinidin chlorideQUERCETAGETIN-7-O-GLUCOSIDE(SH)QUERCETAGETINIDIN CHLORIDE WITH HPLC
DTXCID80282706UNII-8JXK5TBK67C08646orb1991842SCHEMBL1095375CHEMBL1277323SCHEMBL30207627SCHEMBL30224938
Database identifiers
- CAS
42529-06-6、784079-49-8- PubChem CID
- 441697
- DTXSID
DTXSID30331612- ChEMBL
CHEMBL1277323- ChEBI
CHEBI:28090- UNII
- 8JXK5TBK67
- Nikkaji
- J2.682.778G
Properties
Computed structural properties
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 1
- Complexity
- 392
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Anthocyanidins [PK1201]
Physicochemical properties
- FDA UNII
- 3 X52YLJ8GX · 3X52YLJ8GX
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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